Chelist Moleculee
JRC CODE:JRC-000225
cas:52-01-7
einecs:200-133-6
smiles:[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O
name:Spironolactone
MW:416.573
formula:C24H32O4S
InChi:
InChiKey:
SMARTS:
Other names
Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, α-lactone, (7β,17β)-
17β-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7β-mercapto-3-oxo-, α-lactone, acetate (6CI,8CI)
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan], pregn-4-ene-21-carboxylic acid deriv.
17-Hydroxy-7β-mercapto-3-oxo-17β-pregn-4-ene-21-carboxylic acid α-lactone 7-acetate
3-(3-Oxo-7β-acetylthio-17β-hydroxy-4-androsten-17β-yl)propionic acid-α-lactone
3-(3-keto-7β-Acetylthio-17β-hydroxy-4-androsten-17β-yl)propionic acid lactone
3'-(3-Oxo-7β-acetylthio-17β-hydroxyandrost-4-en-17β-yl)-propionic acid lactone
7β-(Acetylthio)-17-hydroxy-3-oxo-17β-pregn-4-ene-21-carboxylic acid α-lactone
7β-Acetylthio-3-oxo-17β-pregn-4-ene-21,17β-carbolactone
Abbolactone
Aldace
Aldactone
Aldactone A
Aldopur
Almatol
Altex
Aquareduct
Berlactone
Deverol
Diatensec
Dira
Duraspiron
Euteberol
Lacalmin
Lacdene
Laractone
NSC 150399
Nefurofan
Novo-Spiroton
Osiren
Osyrol
Quimolactona
SC 9420
Sagisal
Sincomen
Spiresis
Spiretic
Spiridon
Spiro-Tablinen
Spiroctan
Spiroderm
Spirolactone
Spirolang
Spirolone
Spirone
Spironol
Spironolactone
Spironolactone A
Supra-Puren
Suracton
Uractone
Urusonin
Verospiron
Verospirone
Xenalon

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)